[(2S)-1-[(4-azanyl-2-methoxy-phenyl)amino]-1-oxidanylidene-propan-2-yl]-bis(cyanomethyl)azanium

Systemtic Name: [(2S)-1-[(4-azanyl-2-methoxy-phenyl)amino]-1-oxidanylidene-propan-2-yl]-bis(cyanomethyl)azanium Openeye Name: [(1S)-2-(4-amino-2-methoxy-anilino)-1-methyl-2-oxo-ethyl]-bis(cyanomethyl)ammonium CAS Name: [(2S)-1-(4-amino-2-methoxyanilino)-1-oxopropan-2-yl]-bis(cyanomethyl)ammonium IUPAC Name: [(2S)-1-(4-amino-2-methoxyanilino)-1-oxopropan-2-yl]-bis(cyanomethyl)azanium Traditional Name: [(1S)-2-(4-amino-2-methoxy-anilino)-2-keto-1-methyl-ethyl]-bis(cyanomethyl)ammonium Formula: C14H18N5O2+ MolecularWeight: 288.32502

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=C(C=C1)N)OC)[NH+](CC#N)CC#N

Isomeric SMILES

C[C@@H](C(=O)NC1=C(C=C(C=C1)N)OC)[NH+](CC#N)CC#N

InChI

InChI=1S/C14H17N5O2/c1-10(19(7-5-15)8-6-16)14(20)18-12-4-3-11(17)9-13(12)21-2/h3-4,9-10H,7-8,17H2,1-2H3,(H,18,20)/p+1/t10-/m0/s1